Materials Data on Nb2CS2 by Materials Project
Nb2S2C crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2S2C sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge and corner-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.25 Å. All Nb–S bond lengths are 2.51 Å. C4- is bonded to six equivalent Nb4+ atoms to form edge-sharing CNb6 octahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1276586
- Report Number(s):
- mp-5745
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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